(1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol

C11H14FNO — CID 112715367

IUPAC(1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol
SMILESCC1Cc2c(F)cccc2C1(N)CO
InChIInChI=1S/C11H14FNO/c1-7-5-8-9(11(7,13)6-14)3-2-4-10(8)12/h2-4,7,14H,5-6,13H2,1H3
InChIKeyQYPOCEMBDDEHBP-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.16
Rot. Bonds1

About (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol

(1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol (PubChem CID 112715367) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol.

Molecular Properties

Compound Name(1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol
PubChem CID112715367
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol
SMILESCC1Cc2c(F)cccc2C1(N)CO
InChIInChI=1S/C11H14FNO/c1-7-5-8-9(11(7,13)6-14)3-2-4-10(8)12/h2-4,7,14H,5-6,13H2,1H3
InChIKeyQYPOCEMBDDEHBP-UHFFFAOYSA-N
XLogP1.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-amino-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 112716328
2-(1-amino-4-fluoro-2,3-dihydroinden-1-yl)ethanol
CID 83070069
1-(2,3-difluorophenyl)-2-methylcyclopropan-1-ol
CID 79332533
(4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol
CID 112716563
(1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 97055121
[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol
CID 67477643
2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol
CID 83070068
1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol
CID 64736348
[(2S,4R,5S)-5-amino-5-(2-fluorophenyl)-2-methyloxan-4-yl]methanol
CID 58406100
(6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol
CID 164922228
2-tert-butyl-1-(2,3-difluorophenyl)cyclohexan-1-amine
CID 63987330
1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114931200

Frequently Asked Questions

What is the IUPAC name of (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol?
The IUPAC name of (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol (CID 112715367) is (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol.
What is the SMILES notation for (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol?
The canonical SMILES for (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol is CC1Cc2c(F)cccc2C1(N)CO.
What is the InChIKey of (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol?
The InChIKey is QYPOCEMBDDEHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7-5-8-9(11(7,13)6-14)3-2-4-10(8)12/h2-4,7,14H,5-6,13H2,1H3.
What are the key properties of (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol?
(1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol has a molecular weight of 195.24 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol is sourced from PubChem (CID 112715367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).